Geometry & MOs

Info

ID:

84687

PubChem CID:

49869306

Reduced:

ON2H12C13 (2)

Stoich.:

AB2C12D13 (2)

Weight, g/mol:

882.556539

ΔHf, kcal/mol:

18.95

Dipole, Da:

5.14

IP(EA), eV:

 -8.2(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-anilinocarbamate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=CC=C3C4(N2)CCN(CC4)C(=O)C5=C6C=CC=NC6=CC=C5

DOS

IR

Vibrations